AUT

[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine

Created:	2017-08-23
Last modified:	2018-02-28

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1 entries where AUT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of AUT

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Chemical Component Summary
Name	[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine
Systematic Name (OpenEye OEToolkits)	[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine
Formula	C₁₅ H₁₅ Cl₂ N
Molecular Weight	280.192
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1ccccc1c2c(Cl)cc(CN)cc2Cl
SMILES	OpenEye OEToolkits	2.0.6	CCc1ccccc1c2c(cc(cc2Cl)CN)Cl
Canonical SMILES	CACTVS	3.385	CCc1ccccc1c2c(Cl)cc(CN)cc2Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCc1ccccc1c2c(cc(cc2Cl)CN)Cl
InChI	InChI	1.03	InChI=1S/C15H15Cl2N/c1-2-11-5-3-4-6-12(11)15-13(16)7-10(9-18)8-14(15)17/h3-8H,2,9,18H2,1H3
InChIKey	InChI	1.03	ADAAVRXXVZLMDK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	132281900

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.